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Information card for entry 4313902
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Coordinates | 4313902.cif |
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Original paper (by DOI) | HTML |
Common name | none |
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Chemical name | (hydrogen tris(pyrazolyl)borato-N,N',N'')- (tetrakis(mu3-sulfido))-tris(tributylphosphine- iron-S,S',S'')-vanadium hexafluorophosphate |
Formula | C45 H91 B F6 Fe3 N6 P4 S4 V |
Calculated formula | C45 H76 B F6 Fe3 N6 P4 S4 V |
Title of publication | Vanadium-Iron-Sulfur Clusters Containing the Cubane-type [VFe3S4] Core Unit: Synthesis of a Cluster with the Topology of the PN Cluster of Nitrogenase |
Authors of publication | Jing-Lin Zuo; Hong-Cai Zhou; R. H. Holm |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 4624 - 4631 |
a | 15.897 ± 0.015 Å |
b | 24.33 ± 0.02 Å |
c | 16.75 ± 0.016 Å |
α | 90° |
β | 98.388 ± 0.013° |
γ | 90° |
Cell volume | 6409 ± 10 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 9 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0695 |
Residual factor for significantly intense reflections | 0.0463 |
Weighted residual factors for significantly intense reflections | 0.1217 |
Weighted residual factors for all reflections included in the refinement | 0.1294 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.934 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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